(8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one

C8H14N2O — CID 126662671

IUPAC(8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one
SMILESO=C1CNC/C=C\CCNC1
InChIInChI=1S/C8H14N2O/c11-8-6-9-4-2-1-3-5-10-7-8/h1-2,9-10H,3-7H2/b2-1-
InChIKeyVVUGJYKBJVABGF-UPHRSURJSA-N
MW154.21 g/mol
LogP-0.31
Rot. Bonds

About (8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one

(8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one (PubChem CID 126662671) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one.

Molecular Properties

Compound Name(8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one
PubChem CID126662671
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one
SMILESO=C1CNC/C=C\CCNC1
InChIInChI=1S/C8H14N2O/c11-8-6-9-4-2-1-3-5-10-7-8/h1-2,9-10H,3-7H2/b2-1-
InChIKeyVVUGJYKBJVABGF-UPHRSURJSA-N
XLogP-0.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one?
The IUPAC name of (8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one (CID 126662671) is (8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one.
What is the SMILES notation for (8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one?
The canonical SMILES for (8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one is O=C1CNC/C=C\CCNC1.
What is the InChIKey of (8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one?
The InChIKey is VVUGJYKBJVABGF-UPHRSURJSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-6-9-4-2-1-3-5-10-7-8/h1-2,9-10H,3-7H2/b2-1-.
What are the key properties of (8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one?
(8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one has a molecular weight of 154.21 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one is sourced from PubChem (CID 126662671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).